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Heats of Adsorption for Seven Gases in Three Metal−Organic Frameworks: Systematic Comparison of Experiment and Simulation
Abstract
The heat of adsorption is an important parameter for gas separation and storage applications in porous materials such as metal-organic frameworks (MOFs). There are, however, few systematic studies available in the MOF literature. Many papers report results for only one MOF and often only for a single gas. In this work, systematic experimental measurements by TAP-2 are reported for the heats of adsorption of seven gases in three MOFs. The gases are Kr, Xe, N2, CO2, CH4, n-C4H10, and i-C4H10. The MOFs studied are IRMOF-1, IRMOF-3, and HKUST-1. The data set provides a valuable test for molecular simulation. The simulation results suggest that structural differences in HKUST-1 experimental samples may lead to differing heats of adsorption.
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Millward, A. R., & Yaghi, O. M. (2005) · Journal of the American Chemical Society · doi:10.1021/ja0570032 · Cited by 2,876
Cited by
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Tagliabue, M., Farrusseng, D., Valencia, S., Aguado, S., Ravon, U., Rizzo, C., Corma, A., & Mirodatos, C. (2009) · Chemical Engineering Journal · doi:10.1016/j.cej.2009.09.010 · Cited by 471
Self-citationStructuring adsorbents and catalysts by processing of porous powders
Akhtar, F., Andersson, L., Ogunwumi, S., Hedin, N., & Bergström, L. (2014) · Journal of the European Ceramic Society · doi:10.1016/j.jeurceramsoc.2014.01.008 · Cited by 363
Sorbents for CO2 capture from flue gas—aspects from materials and theoretical chemistry
Hedin, N., Chen, L., & Laaksonen, A. (2010) · Nanoscale · doi:10.1039/c0nr00042f · Cited by 243
Metadata
- Authors
- Farrusseng, D., Daniel, C., Gaudillère, C., Ravon, U., Schuurman, Y., Mirodatos, C., Dubbeldam, D., Frost, H., & Snurr, R. Q.
- Venue
- Langmuir
- Publisher
- American Chemical Society (ACS)
- Published
- 2009-06-04
- Volume
- 25
- Issue
- 13
- Pages
- 7383-7388
- ISSN
- 0743-7463 (ISSN-L)
- 1520-5827
- OpenAlex
- W2046139672
- Cited by
- 231
- References
- 1
- FWCI
- 12.78
- Type
- journal article
- Language
- en
- Open access
- closed
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- Farrusseng, D., Daniel, C., Gaudillère, C., Ravon, U., Schuurman, Y., Mirodatos, C., Dubbeldam, D., Frost, H., & Snurr, R. Q. (2009). Heats of Adsorption for Seven Gases in Three Metal−Organic Frameworks: Systematic Comparison of Experiment and Simulation. Langmuir. https://doi.org/10.1021/la900283t
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